N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

C23H26F3N5O4 — CID 155850658

IUPACN-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(NC(=O)c2ccc3nnc(C4CCN(C(C)C)C4)n3c2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N5O2.C2HF3O2/c1-14(2)25-11-10-15(12-25)20-24-23-19-9-4-16(13-26(19)20)21(27)22-17-5-7-18(28-3)8-6-17;3-2(4,5)1(6)7/h4-9,13-15H,10-12H2,1-3H3,(H,22,27);(H,6,7)
InChIKeyCSQAAENZQMSCCL-UHFFFAOYSA-N
MW493.49 g/mol
LogP3.82
Rot. Bonds5

About N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155850658) has the molecular formula C23H26F3N5O4 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155850658
Molecular FormulaC23H26F3N5O4
Molecular Weight493.49 g/mol
Exact Mass493.19
IUPAC NameN-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(NC(=O)c2ccc3nnc(C4CCN(C(C)C)C4)n3c2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H25N5O2.C2HF3O2/c1-14(2)25-11-10-15(12-25)20-24-23-19-9-4-16(13-26(19)20)21(27)22-17-5-7-18(28-3)8-6-17;3-2(4,5)1(6)7/h4-9,13-15H,10-12H2,1-3H3,(H,22,27);(H,6,7)
InChIKeyCSQAAENZQMSCCL-UHFFFAOYSA-N
XLogP3.82
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131661275
3-[(3R)-1-benzylpyrrolidin-3-yl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448167
3-(1-propan-2-ylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155837905
3-[4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155838461
N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075471
3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131644011
3-(1-propan-2-ylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134075476
N-propan-2-yl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 118739118
N-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134803137
N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131648928
N-[2-(3-methoxyphenyl)ethyl]-3-[(3R)-1-methylsulfonylpyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97448300
N-(cyclopropylmethyl)-3-[1-(dimethylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131657541

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155850658) is N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc(NC(=O)c2ccc3nnc(C4CCN(C(C)C)C4)n3c2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CSQAAENZQMSCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.C2HF3O2/c1-14(2)25-11-10-15(12-25)20-24-23-19-9-4-16(13-26(19)20)21(27)22-17-5-7-18(28-3)8-6-17;3-2(4,5)1(6)7/h4-9,13-15H,10-12H2,1-3H3,(H,22,27);(H,6,7).
What are the key properties of N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 493.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).